ProjectedLocalDensityOfStates

class ProjectedLocalDensityOfStates(configuration, method=None, energies=None, kpoints=None, contributions=None, self_energy_calculator=None, energy_zero_parameter=None, infinitesimal=None)

Class for representing the projected local density of states.

Parameters:
  • configuration (DeviceConfiguration.) – The configuration to calculate the projected local DOS of.
  • method (LocalDeviceDensityOfStates | DeviceDensityOfStates) – The method used for calculating the projected local DOS. Either the class of LocalDeviceDensityOfStates or DeviceConfiguration should be supplied, not instances of those classes.
    Default: LocalDeviceDensityOfStates
  • energies (PhysicalQuantity of type energy) – The energies for which the density of states should be calculated.
    Default: numpy.linspace(-2.0, 2.0, 200) * eV
  • kpoints (MonkhorstPackGrid) – The k-points for which the projected local DOS should be calculated.
    Default: MonkhorstPackGrid(nx, ny) where nx, ny are the sampling used for the self consistent calculation.
  • contributions (Left | Right | All) – The density contributions to include in the projected local DOS.
    Default: All
  • self_energy_calculator (DirectSelfEnergy | RecursionSelfEnergy | SparseRecursionSelfEnergy | KrylovSelfEnergy) – The self energy calculator to use.
    Default: RecursionSelfEnergy(storage_strategy=NoStorage())
  • energy_zero_parameter (AverageFermiLevel | AbsoluteEnergy) – Specifies the choice for the energy zero.
    Default: AverageFermiLevel
  • infinitesimal (PhysicalQuantity of type energy) – Small energy, used to move the calculation away from the real axis. This is only relevant for recursion-style self-energy calculators.
    Default: 1.0e-6 * eV
contributions()
Returns:The contributions.
Return type:Left | Right | All
electrodeVoltages()
Returns:The electrode voltages.
Return type:PhysicalQuantity of type electrical potential
energies()
Returns:The energies.
Return type:PhysicalQuantity of type energy
evaluate(spin=None)

Return the projected local DOS for the specified spin.

Parameters:spin (Spin.All | Spin.Sum | Spin.X | Spin.Y | Spin.Z | Spin.Up | Spin.Down | Spin.RealUpDown | Spin.ImagUpDown) – The spin to select.
Default: Spin.Sum
infinitesimal()
Returns:The infinitesimal.
Return type:PhysicalQuantity of type energy
metatext()
Returns:The metatext of the object or None if no metatext is present.
Return type:str | unicode | None
method()
Returns:The method used for calculating the projected local DOS.
Return type:LocalDeviceDensityOfStates | DeviceDensityOfStates
nlprint(stream=None)

Print a string containing an ASCII table useful for plotting the AnalysisSpin object.

Parameters:stream (python stream) – The stream the table should be written to.
Default: NLPrintLogger()
setMetatext(metatext)

Set a given metatext string on the object.

Parameters:metatext (str | unicode | None) – The metatext string that should be set. A value of “None” can be given to remove the current metatext.
zSlicing()
Returns:The z-slicing of the cell.
Return type:PhysicalQuantity of type length

Usage Examples

Notes